Josh Horton
|
fe5de586ef
|
Merge branch 'main' into cli-partial-charges
# Conflicts:
# openfecli/commands/plan_rbfe_network.py
# openfecli/commands/plan_rhfe_network.py
# openfecli/parameters/__init__.py
# openfecli/parameters/misc.py
# openfecli/tests/commands/test_plan_rbfe_network.py
# openfecli/tests/commands/test_plan_rhfe_network.py
|
2025-01-30 11:07:09 +00:00 |
|
Alyssa Travitz
|
00445dcf5c
|
add support for one repeat per json (#1076)
* add n_protocol_repeats as cli parameter
* add news item
* update tests
* add docstrings
* adding n_repeats test
* switch test to use full --n-protocol-repeats flag
* updating help msg
* updating news entry
* Update openfecli/parameters/misc.py
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
---------
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
|
2025-01-29 14:23:15 -08:00 |
|
Josh Horton
|
c46e7c1e5a
|
add charges to cofactor sdf, fix docs, expose overwrite charges to plan CLI
|
2025-01-24 11:39:39 +00:00 |
|
Josh Horton
|
8602a39aa6
|
move ncores cli flag, fix tests, add tests for charge generation
|
2025-01-20 15:53:43 +00:00 |
|